Information card for entry 7110192

Structure parameters

• Formula: C17 H12 I2 N2 O2
• Calculated formula: C17 H12 I2 N2 O2
• SMILES: c1(ccc(cc1)N1C(=O)C=C(C1=O)N(c1ccc(cc1)I)C)I
• Title of publication: Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline
• Authors of publication: Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 350
• a: 25.385 ± 0.004 Å
• b: 4.1207 ± 0.0006 Å
• c: 15.706 ± 0.002 Å
• α: 90°
• β: 98.23 ± 0.004°
• γ: 90°
• Cell volume: 1626 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No